Ab initio molecular dynamics is used to study deformations of sodium clusters at temperatures 500⋯1100 K. Open-shell Na14 cluster has two shape isomers, prolate and oblate, in the liquid state. The deformation is stabilized by opening a gap at the Fermi level. The closed-shell Na8 remains magic also at the liquid state.
@article{arxiv.mtrl-th/9503006,
title = {Electronic-structure-induced deformations of liquid metal clusters},
author = {H. Hakkinen and M. Manninen},
journal= {arXiv preprint arXiv:mtrl-th/9503006},
year = {2016}
}
Comments
REVTex, 11 pages, no figures, figures (2) available upon request (e-mail to hakkinen at jyfl.jyu.fi), submitted to Phys. Rev. B